CID 21698025

4-(chloromethyl)-2-(trifluoromethyl)thiophene

Structural Information

Molecular Formula
C6H4ClF3S
SMILES
C1=C(SC=C1CCl)C(F)(F)F
InChI
InChI=1S/C6H4ClF3S/c7-2-4-1-5(11-3-4)6(8,9)10/h1,3H,2H2
InChIKey
RKRGIMIVNSWRKB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(trifluoromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

199.96744 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97472 140.5
[M+Na]+ 222.95666 149.4
[M+NH4]+ 218.00126 147.8
[M+K]+ 238.93060 143.3
[M-H]- 198.96016 137.8
[M+Na-2H]- 220.94211 143.8
[M]+ 199.96689 141.4
[M]- 199.96799 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe